5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonyl chloride

5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonyl chloride

CAS: 1256643-55-6

Formula: C8H7ClN2O3S

SMILES: CC1=CC(C)=C(C2=NON=C12)S(Cl)(=O)=O

IUPAC: 5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonyl chloride

InChI: InChI=1S/C8H7ClN2O3S/c1-4-3-5(2)8(15(9,12)13)7-6(4)10-14-11-7/h3H,1-2H3

Composition: C (38.95%), H (2.86%), Cl (14.37%), N (11.36%), O (19.46%), S (13.00%)

Molar Mass: 246.67

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	245.986591
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KFIKFRDBDZKOMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.41
Topological Polar Surface Area	73.06
Polarizability	22.64
Ring Count	2
Rotatable Bond Count	1

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